[(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-butyl-azanium

Systemtic Name: [(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-butyl-azanium Openeye Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-butyl-ammonium CAS Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-butylammonium IUPAC Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-butylazanium Traditional Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-butyl-ammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(CC)C1=C(C=CC(=C1)Br)O

Isomeric SMILES

CCCC[NH2+][C@H](CC)C1=C(C=CC(=C1)Br)O

InChI

InChI=1S/C13H20BrNO/c1-3-5-8-15-12(4-2)11-9-10(14)6-7-13(11)16/h6-7,9,12,15-16H,3-5,8H2,1-2H3/p+1/t12-/m1/s1